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BDBM50401916 CHEMBL2207211

SMILES: O=C(NCCCNc1nc(Nc2cnn(c2)C2CC2)ncc1C1CC1)C1CCC1

InChI Key: InChIKey=PLHGRDHBKJDBAW-UHFFFAOYSA-N

Data: 2 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50401916   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Serine/threonine-protein kinase TBK1


(Mus musculus)
BDBM50401916
PNG
(CHEMBL2207211)
Show SMILES O=C(NCCCNc1nc(Nc2cnn(c2)C2CC2)ncc1C1CC1)C1CCC1
Show InChI InChI=1S/C21H29N7O/c29-20(15-3-1-4-15)23-10-2-9-22-19-18(14-5-6-14)12-24-21(27-19)26-16-11-25-28(13-16)17-7-8-17/h11-15,17H,1-10H2,(H,23,29)(H2,22,24,26,27)
PDB

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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 130n/an/an/an/an/an/a



MRC Technology

Curated by ChEMBL


Assay Description
Inhibition of TBK1-mediated RANTES release in LPS-stimulated mouse RAW264.7 cells compound incubated for 30 mins prior LPS challenge measured after 6...


Bioorg Med Chem Lett 22: 7169-73 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.063
BindingDB Entry DOI: 10.7270/Q2TT4S45
More data for this
Ligand-Target Pair
Protein cereblon/Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM50401916
PNG
(CHEMBL2207211)
Show SMILES O=C(NCCCNc1nc(Nc2cnn(c2)C2CC2)ncc1C1CC1)C1CCC1
Show InChI InChI=1S/C21H29N7O/c29-20(15-3-1-4-15)23-10-2-9-22-19-18(14-5-6-14)12-24-21(27-19)26-16-11-25-28(13-16)17-7-8-17/h11-15,17H,1-10H2,(H,23,29)(H2,22,24,26,27)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 10n/an/an/an/an/an/a



MRC Technology

Curated by ChEMBL


Assay Description
Inhibition of TBK1 by radiometry


Bioorg Med Chem Lett 22: 7169-73 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.063
BindingDB Entry DOI: 10.7270/Q2TT4S45
More data for this
Ligand-Target Pair